%chk=000155716.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155716

0 1
 O  -0.6971000      0.6558000      0.1552000    
 O   0.7480000       1.659300       1.652300    
 C    2.079300     -0.9464000     -4.1200001E-02
 C    2.930200      0.2121000      0.3528000    
 C    1.580400      0.4559000     -0.2318000    
 C    1.515500      -1.775600       1.063400    
 C    2.395300      -1.736900      -1.267300    
 C    4.109700      0.5655000     -0.4600000    
 C   0.5278000       1.001000      0.6447000    
 C    5.357300      6.7699999E-02 -0.3615000    
 C    6.456500      0.5375000      -1.273400    
 C    5.763900     -0.9761000      0.6397000    
 C   -1.816600       1.122800      0.9145000    
 C   -3.082800      0.6648000      0.2523000    
 C   -3.641600     -0.5581000      0.6068000    
 C   -3.686700       1.468000     -0.7084000    
 C   -4.819300     -0.9831000     -7.7999998E-03
 C   -4.864400       1.042800      -1.323000    
 C   -5.430800     -0.1828000     -0.9726000    
 C   -5.424600      -2.294200      0.3654000    
 H    3.066200      0.4092000       1.411800    
 H    1.530500      0.8280000      -1.251900    
 H   0.5394000      -2.183500      0.7789000    
 H    2.180300      -2.617400       1.287000    
 H    1.383200      -1.216900       1.996500    
 H    2.692500      -1.112900      -2.117200    
 H    3.207100      -2.445700      -1.071000    
 H    1.518600      -2.311400      -1.587000    
 H    3.935800       1.329500      -1.216500    
 H    7.272300      0.9758000     -0.6892000    
 H    6.854700     -0.3033000      -1.850900    
 H    6.112400       1.295500      -1.984800    
 H    6.138100      -1.866900      0.1245000    
 H    6.559000     -0.5900000       1.286000    
 H    4.938800      -1.291600       1.284900    
 H   -1.793800       2.218300      0.9725000    
 H   -1.759700      0.7300000       1.937400    
 H   -3.161800      -1.183000       1.355900    
 H   -3.253100       2.423500     -0.9904000    
 H   -5.339900       1.665600      -2.075000    
 H   -6.347500     -0.5038000      -1.460300    
 H   -5.231900      -2.532200       1.417100    
 H   -6.512100      -2.280100      0.2347000    
 H   -5.007300      -3.091400     -0.2575000    


%chk=000155716-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155716

0 1
O -0.620315 0.227098 0.324240
O 0.784775 0.229637 2.192384
C 2.337645 -2.058299 0.572523
C 3.027151 -0.705699 0.332144
C 1.479637 -0.843427 0.095087
C 2.217189 -2.548030 2.014249
C 2.509294 -3.185545 -0.445651
C 3.932731 -0.428076 -0.811518
C 0.569327 -0.101990 0.996717
C 4.951202 0.483451 -0.846566
C 5.801427 0.645357 -2.096106
C 5.334963 1.398701 0.302378
C -1.619536 1.005597 1.120591
C -2.949484 0.947043 0.404647
C -3.474334 -0.289651 -0.047581
C -3.707260 2.127945 0.223045
C -4.738657 -0.367712 -0.678473
C -4.978344 2.064521 -0.392489
C -5.489931 0.827561 -0.838590
C -5.276565 -1.692824 -1.191678
H 3.243943 -0.164290 1.260383
H 1.140074 -0.881851 -0.943725
H 1.373448 -3.256705 2.118810
H 3.143091 -3.078365 2.306948
H 2.051580 -1.715188 2.717171
H 2.495834 -2.825329 -1.488765
H 3.470158 -3.708659 -0.280167
H 1.694925 -3.925837 -0.337163
H 3.757312 -1.022218 -1.720639
H 5.738753 1.680613 -2.487649
H 6.871522 0.455895 -1.877130
H 5.489334 -0.043944 -2.899916
H 6.384095 1.218197 0.610906
H 5.278529 2.459384 -0.013737
H 4.695217 1.280118 1.191181
H -1.254017 2.043328 1.221338
H -1.661452 0.560712 2.132886
H -2.874947 -1.198792 0.081381
H -3.308480 3.092253 0.560881
H -5.565879 2.979713 -0.526804
H -6.476238 0.785234 -1.317339
H -4.765226 -2.549079 -0.718791
H -6.359958 -1.791962 -0.998147
H -5.130732 -1.783585 -2.285667


